(1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone

C12H11F2N3O — CID 176652308

IUPAC(1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone
SMILESCc1cc(C(=O)c2cccn2N)cnc1C(F)F
InChIInChI=1S/C12H11F2N3O/c1-7-5-8(6-16-10(7)12(13)14)11(18)9-3-2-4-17(9)15/h2-6,12H,15H2,1H3
InChIKeyLCSNUUOXUQMHFU-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.07
Rot. Bonds3

About (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone

(1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone (PubChem CID 176652308) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone.

Molecular Properties

Compound Name(1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone
PubChem CID176652308
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name(1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone
SMILESCc1cc(C(=O)c2cccn2N)cnc1C(F)F
InChIInChI=1S/C12H11F2N3O/c1-7-5-8(6-16-10(7)12(13)14)11(18)9-3-2-4-17(9)15/h2-6,12H,15H2,1H3
InChIKeyLCSNUUOXUQMHFU-UHFFFAOYSA-N
XLogP2.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone?
The IUPAC name of (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone (CID 176652308) is (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone.
What is the SMILES notation for (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone?
The canonical SMILES for (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone is Cc1cc(C(=O)c2cccn2N)cnc1C(F)F.
What is the InChIKey of (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone?
The InChIKey is LCSNUUOXUQMHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-5-8(6-16-10(7)12(13)14)11(18)9-3-2-4-17(9)15/h2-6,12H,15H2,1H3.
What are the key properties of (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone?
(1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone has a molecular weight of 251.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminopyrrol-2-yl)-[6-(difluoromethyl)-5-methyl-3-pyridinyl]methanone is sourced from PubChem (CID 176652308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).